%chk=000003345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003345

0 1
 O   -3.700000      -2.940300     -3.1399999E-02
 N    1.290900     -0.1114000     -0.4784000    
 N   -2.876400     -0.7175000     -3.6300000E-02
 C   -1.476600      -1.019900     -0.2022000    
 C  -0.9404000     -0.4203000      -1.501900    
 C  -0.6597000     -0.5161000      0.9880000    
 C   0.5661000     -0.6478000      -1.638700    
 C   0.8373000     -0.7417000      0.7691000    
 C    2.732600     -0.2919000     -0.6480000    
 C    3.505900      0.3786000      0.4882000    
 C   -3.279500      0.6836000      6.2300000E-02
 C   -3.887000      -1.722800      3.6200002E-02
 C    4.995200      0.2192000      0.3135000    
 C   -5.312800      -1.194400      0.1652000    
 C   -3.321400       1.242700       1.304600    
 C   -3.584700       1.335300      -1.095100    
 C   -6.347700      -2.305700      0.2534000    
 C    5.631800     -0.8815000      0.8667000    
 C    5.703900       1.176100     -0.3973000    
 C   -3.705300       2.580500       1.398400    
 C   -3.968400       2.673200      -1.001400    
 C   -4.028700       3.295700      0.2454000    
 C    7.009600      -1.028800      0.7055000    
 C    7.081400       1.028800     -0.5586000    
 C    7.734300     -7.3700003E-02 -7.1000000E-03
 H   -1.362400      -2.110100     -0.2568000    
 H   -1.102100      0.6624000      -1.546400    
 H   -1.460000     -0.8563000      -2.363800    
 H  -0.9803000      -1.021200       1.907400    
 H  -0.8000000      0.5585000       1.149600    
 H   0.7659000      -1.720400      -1.763100    
 H   0.9046000     -0.1462000      -2.553700    
 H    1.320100     -0.3087000       1.648600    
 H    1.053500      -1.818200      0.7685000    
 H    2.991400      -1.357800     -0.7077000    
 H    3.046400      0.1616000      -1.597500    
 H    3.264500     -3.8500000E-02   1.470800    
 H    3.254500       1.446200      0.5438000    
 H   -5.552800     -0.5791000     -0.7074000    
 H   -5.398000     -0.5875000       1.071600    
 H   -3.082900      0.6864000       2.204900    
 H   -3.551600      0.8515000      -2.065600    
 H   -7.352700      -1.883100      0.3501000    
 H   -6.162400      -2.948000       1.120600    
 H   -6.327400      -2.934900     -0.6426000    
 H    5.076400      -1.632500       1.421200    
 H    5.204200       2.037200     -0.8319000    
 H   -3.755300       3.064200       2.369500    
 H   -4.223300       3.229100      -1.898900    
 H   -4.329000       4.336800      0.3186000    
 H    7.517900      -1.887600       1.134100    
 H    7.645800       1.772200      -1.114000    
 H    8.806900     -0.1885000     -0.1331000    


%chk=000003345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003345

0 1
O -3.525527 -2.867529 -0.206476
N 1.335820 -0.253538 -0.328621
N -2.988356 -0.602794 -0.035256
C -1.529097 -0.914176 -0.152666
C -0.897588 -0.334971 -1.439871
C -0.717140 -0.452961 1.079211
C 0.591594 -0.730468 -1.522400
C 0.767322 -0.838983 0.911381
C 2.797051 -0.469188 -0.453615
C 3.625238 0.440408 0.495475
C -3.409538 0.776569 0.097763
C -3.909583 -1.663612 -0.077823
C 5.119644 0.256342 0.280415
C -5.395015 -1.290868 0.039266
C -3.529310 1.365752 1.381167
C -3.703657 1.547725 -1.054224
C -6.306384 -2.530831 0.020877
C 5.838486 -0.745910 0.982589
C 5.821073 1.050847 -0.663460
C -3.936393 2.712428 1.510371
C -4.111031 2.894250 -0.923468
C -4.227841 3.480034 0.358641
C 7.217896 -0.948963 0.751267
C 7.200370 0.852494 -0.899131
C 7.904539 -0.150118 -0.192303
H -1.497382 -2.019513 -0.208957
H -0.971479 0.768874 -1.437645
H -1.432437 -0.720554 -2.328644
H -1.120572 -0.926263 1.994828
H -0.787327 0.644807 1.194952
H 0.668750 -1.844541 -1.634479
H 1.047844 -0.277173 -2.422009
H 1.339992 -0.469195 1.780400
H 0.860200 -1.958193 0.903815
H 3.081294 -1.538285 -0.275869
H 3.087970 -0.234265 -1.495199
H 3.367612 0.211743 1.546664
H 3.322279 1.486209 0.304551
H -5.659851 -0.602957 -0.787613
H -5.551219 -0.706406 0.966829
H -3.306411 0.762191 2.267732
H -3.613747 1.085020 -2.043189
H -7.366918 -2.228917 0.094761
H -6.070396 -3.205962 0.860726
H -6.164712 -3.109070 -0.907543
H 5.314317 -1.366041 1.721058
H 5.282330 1.834601 -1.211169
H -4.026636 3.160253 2.506230
H -4.336971 3.483668 -1.819010
H -4.543816 4.524179 0.459256
H 7.756625 -1.725260 1.306874
H 7.725735 1.480351 -1.628069
H 8.974649 -0.303841 -0.371487


